rdkit
@clawhub_wu-uk/find-topk-similiar-chemicals-rdkit
By wu-uk
About this Skill
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D genera...
科研学术
Skill files and instructions
Read SKILL.md and the other instructions or configuration files published with this Skill.
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Details
- Category
- Professional
- Source
- clawhub
- Version
- 0.1.0
- Updated
- Sep 23, 2026